| 中文别名 | Imidazole ketone erastin(cas:1801530-11-9) |
| 英文别名 | Imidazole ketone erastin,1801530-11-9 |
| CAS号 | 1801530-11-9 |
| SMILES | O=C1N(C2=CC(C(CN3C=CN=C3)=O)=CC=C2OC(C)C)C(CN4CCN(C(COC5=CC=C(Cl)C=C5)=O)CC4)=NC6=CC=CC=C61 |
| Inchi | InChI=1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3 |
| InchiKey | PSPXJPWGVFNGQI-UHFFFAOYSA-N |
| 分子式 Formula | C35H35ClN6O5 |
| 分子量 Molecular Weight | 655.14 |
| 闪点 FP | 489.9±37.1 ℃ |
| 沸点 Boiling point | 886.5±75.0 ℃ at 760 mmHg |
| Polarizability极化度 | 71.4±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±0.3 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 125 mg/mL(190.80 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 4℃, sealed storage, away from moisture and light * In solvent : -80℃, 6 months月; -20℃, 1 month月 (sealed storage, away from moisture and light) |
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